For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(R,S)-3',5'-Dichloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxy-p-butyrotoluidide

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

(R,S)-3',5'-Dichloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxy-p-butyrotoluidide
SpectraBase Compound ID 7Kx3C8jLgbe
InChI InChI=1S/C27H37Cl2NO3/c1-9-21(25(32)30-20-15-19(28)16(4)23(29)24(20)31)33-22-13-12-17(26(5,6)10-2)14-18(22)27(7,8)11-3/h12-15,21,31H,9-11H2,1-8H3,(H,30,32)
InChIKey GRPPLTVZUQVNQK-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C27H37Cl2NO3
Exact Mass 493.215049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Kb0IEOZ6MvQ
Name (R,S)-3',5'-Dichloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxy-p-butyrotoluidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.215049452 u
Formula C27H37Cl2NO3
InChI InChI=1S/C27H37Cl2NO3/c1-9-21(25(32)30-20-15-19(28)16(4)23(29)24(20)31)33-22-13-12-17(26(5,6)10-2)14-18(22)27(7,8)11-3/h12-15,21,31H,9-11H2,1-8H3,(H,30,32)
InChIKey GRPPLTVZUQVNQK-UHFFFAOYSA-N
Molecular Weight 494.503 g/mol
SMILES CC1=C(C=C(C(=C1Cl)O)NC(C(OC1=C(C=C(C(CC)(C)C)C=C1)C(C)(C)CC)CC)=O)Cl